1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine

C34H33F3N4OSi — CID 22969397

About 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine

1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine (PubChem CID 22969397) has the molecular formula C34H33F3N4OSi and a molecular weight of 598.75 g/mol. Its IUPAC name is 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine.

Molecular Properties

• Compound Name: 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine
• PubChem CID: 22969397
• Molecular Formula: C34H33F3N4OSi
• Molecular Weight: 598.75 g/mol
• Exact Mass: 598.24
• IUPAC Name: 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine
• SMILES: C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cncc(N=C(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C34H33F3N4OSi/c1-43(2,3)18-17-42-24-41-23-31(27-15-10-16-29(19-27)34(35,36)37)40-33(41)28-20-30(22-38-21-28)39-32(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-16,19-23H,17-18,24H2,1-3H3
• InChIKey: ACFYFMIOYCVISU-UHFFFAOYSA-N
• XLogP: 9.11
• TPSA: 52.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.75
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine?

The IUPAC name of 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine (CID 22969397) is 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine.

What is the SMILES notation for 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine?

The canonical SMILES for 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine is C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cncc(N=C(c2ccccc2)c2ccccc2)c1.

What is the InChIKey of 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine?

The InChIKey is ACFYFMIOYCVISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N4OSi/c1-43(2,3)18-17-42-24-41-23-31(27-15-10-16-29(19-27)34(35,36)37)40-33(41)28-20-30(22-38-21-28)39-32(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-16,19-23H,17-18,24H2,1-3H3.

What are the key properties of 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine?

1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine has a molecular weight of 598.75 g/mol, XLogP of 9.11, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-diphenyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]methanimine is sourced from PubChem (CID 22969397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).